| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA473706
Max Phase: Preclinical
Molecular Formula: C14H20N2O
Molecular Weight: 232.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C
Standard InChI: InChI=1S/C14H20N2O/c1-10-6-4-7-11(2)13(10)15-14(17)12-8-5-9-16(12)3/h4,6-7,12H,5,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1
Standard InChI Key: YEFPZQNJYCVDAB-LBPRGKRZSA-N
Associated Targets(Human)
Sodium channel protein type IV alpha subunit 583 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 232.33 | Molecular Weight (Monoisotopic): 232.1576 | AlogP: 2.34 | #Rotatable Bonds: 2 |
| Polar Surface Area: 32.34 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.62 | CX Basic pKa: 7.38 | CX LogP: 2.75 | CX LogD: 2.46 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.85 | Np Likeness Score: -1.05 |
References
| 1. Carrieri A, Muraglia M, Corbo F, Pacifico C.. (2009) 2D- and 3D-QSAR of tocainide and mexiletine analogues acting as Na(v)1.4 channel blockers., 44 (4): [PMID:19027197] [10.1016/j.ejmech.2008.10.005] |
Source
Source(1):